2-[[4-[(5-nitro-1,3-dihydroisoindol-2-yl)carbonyl]cyclohexyl]amino]-3-oxidanylidene-3-pyrrolidin-2-yl-propanenitrile

Systemtic Name: 2-[[4-[(5-nitro-1,3-dihydroisoindol-2-yl)carbonyl]cyclohexyl]amino]-3-oxidanylidene-3-pyrrolidin-2-yl-propanenitrile Openeye Name: 2-[[4-(5-nitroisoindoline-2-carbonyl)cyclohexyl]amino]-3-oxo-3-pyrrolidin-2-yl-propanenitrile CAS Name: 2-[[4-[(5-nitro-1,3-dihydroisoindol-2-yl)-oxomethyl]cyclohexyl]amino]-3-oxo-3-(2-pyrrolidinyl)propanenitrile IUPAC Name: 2-[[4-(5-nitro-1,3-dihydroisoindole-2-carbonyl)cyclohexyl]amino]-3-oxo-3-pyrrolidin-2-ylpropanenitrile Traditional Name: 3-keto-2-[[4-(5-nitroisoindoline-2-carbonyl)cyclohexyl]amino]-3-pyrrolidin-2-yl-propionitrile Formula: C22H27N5O4 MolecularWeight: 425.48088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C(C#N)NC2CCC(CC2)C(=O)N3CC4=C(C3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(NC1)C(=O)C(C#N)NC2CCC(CC2)C(=O)N3CC4=C(C3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c23-11-20(21(28)19-2-1-9-24-19)25-17-6-3-14(4-7-17)22(29)26-12-15-5-8-18(27(30)31)10-16(15)13-26/h5,8,10,14,17,19-20,24-25H,1-4,6-7,9,12-13H2